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CHEBI:62810 - cis-heme d hydroxychlorin γ-spirolactone methyl ester

Default Structure
ChEBI IDCHEBI:62810
ChEBI Namecis-heme d hydroxychlorin γ-spirolactone methyl ester
Stars
ASCII Namecis-heme d hydroxychlorin gamma-spirolactone methyl ester
DefinitionA carboxylic ester that is the methyl ester of cis-heme d hydroxychlorin γ-spirolactone.
Last Modified16 March 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC35H34FeN4O5
Net Charge0
Average Mass646.525
Monoisotopic Mass646.18786
SMILESC=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(C=C)c4[n]1[Fe-2]31[n]3c(c(C)c(CCC(=O)OC)c3=CC3=[N+]1C(=C4)[C@](C)(O)[C@@]31CCC(=O)O1)=C2
InChIInChI=1S/C35H34N4O5.Fe/c1-8-21-18(3)24-14-25-20(5)23(10-11-32(40)43-7)29(38-25)17-31-35(13-12-33(41)44-35)34(6,42)30(39-31)16-28-22(9-2)19(4)26(37-28)15-27(21)36-24;/h8-9,14-17,42H,1-2,10-13H2,3-7H3;/q-2;+2/t34-,35+;/m0./s1
InChIKeyHSOAODYTIXUNJD-PFHIRXQESA-N
Roles Classification
Biological Roles:
prosthetic group  A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
cofactor  An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
cofactor  An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
ChEBI Ontology
Outgoing Relation(s)
cis-heme d hydroxychlorin γ-spirolactone methyl ester (CHEBI:62810) has functional parent cis-heme d hydroxychlorin γ-spirolactone (CHEBI:47459)
cis-heme d hydroxychlorin γ-spirolactone methyl ester (CHEBI:62810) has functional parent methanol (CHEBI:17790)
cis-heme d hydroxychlorin γ-spirolactone methyl ester (CHEBI:62810) is a azaspiro compound (CHEBI:35624)
cis-heme d hydroxychlorin γ-spirolactone methyl ester (CHEBI:62810) is a ferroheme (CHEBI:38573)
cis-heme d hydroxychlorin γ-spirolactone methyl ester (CHEBI:62810) is a metallochlorin (CHEBI:62804)
cis-heme d hydroxychlorin γ-spirolactone methyl ester (CHEBI:62810) is a methyl ester (CHEBI:25248)
cis-heme d hydroxychlorin γ-spirolactone methyl ester (CHEBI:62810) is a oxaspiro compound (CHEBI:37948)
cis-heme d hydroxychlorin γ-spirolactone methyl ester (CHEBI:62810) is a γ-lactone (CHEBI:37581)
IUPAC Name 
{methyl 3-[(2RS,5'SR)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa[1,3(24),6,8,10,12,14,16(22),17,19]decaen]-20'-yl-κ4N21',N22',N23',N24']propanoatato(2−)}iron
Citations